CID 52927405

Pg(p-20:0/17:1(9z))

Structural Information

Molecular Formula
C43H83O9P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\CCCCCCC
InChI
InChI=1S/C43H83O9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-49-39-42(40-51-53(47,48)50-38-41(45)37-44)52-43(46)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h16,18,34,36,41-42,44-45H,3-15,17,19-33,35,37-40H2,1-2H3,(H,47,48)/b18-16-,36-34-/t41-,42+/m0/s1
InChIKey
XIAHBLHNMYMFFR-AXHVEHKYSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-icos-1-enoxy]propan-2-yl] (Z)-heptadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

774.57745 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 775.58473 287.6
[M+Na]+ 797.56667 286.3
[M-H]- 773.57017 275.1
[M+NH4]+ 792.61127 290.0
[M+K]+ 813.54061 290.5
[M+H-H2O]+ 757.57471 276.4
[M+HCOO]- 819.57565 285.5
[M+CH3COO]- 833.59130 287.5
[M+Na-2H]- 795.55212 263.6
[M]+ 774.57690 285.6
[M]- 774.57800 285.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.